6W8R

Crystal structure of metacaspase 4 C139A from Arabidopsis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-11
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.28
Spacegroup name	P 21 21 2
Unit cell lengths	108.160, 216.100, 40.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.797 - 2.801
R-factor	0.2488
Rwork	0.248
R-free	0.26600
Structure solution method	MIRAS
RMSD bond length	0.004
RMSD bond angle	0.741
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	SHARP
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.870
High resolution limit [Å]	2.800	2.800
Number of reflections	24420	1779
<I/σ(I)>	5
Completeness [%]	100.0
Redundancy	7.4
CC(1/2)	0.982	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM sodium acetate, pH 4.6, 2.1 M ammonium sulfate